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Information card for entry 7118619
Preview
| Coordinates | 7118619.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C60 H69 Cl F6 N7 P |
|---|---|
| Calculated formula | C60 H69 Cl F6 N7 P |
| Title of publication | A rhodium(i)-oxygen adduct as a selective catalyst for one-pot sequential alkyne dimerization-hydrothiolation tandem reactions. |
| Authors of publication | Kleinhans, George; Guisado-Barrios, Gregorio; Liles, David C.; Bertrand, Guy; Bezuidenhout, Daniela I. |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2016 |
| Journal volume | 52 |
| Journal issue | 17 |
| Pages of publication | 3504 - 3507 |
| a | 16.2214 ± 0.0004 Å |
| b | 24.0518 ± 0.0005 Å |
| c | 15.2494 ± 0.0003 Å |
| α | 90° |
| β | 108.856 ± 0.0009° |
| γ | 90° |
| Cell volume | 5630.3 ± 0.2 Å3 |
| Cell temperature | 150.15 K |
| Ambient diffraction temperature | 150.15 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.047 |
| Residual factor for significantly intense reflections | 0.043 |
| Weighted residual factors for significantly intense reflections | 0.1107 |
| Weighted residual factors for all reflections included in the refinement | 0.1137 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.042 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301857 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/11/ Each referenced PubChem compound corresponds to the full crystal structure. |
7118619.cif |
| 181577 | 2016-04-05 | cif/ Updating files of 7118618, 7118619 Original log message: Adding full bibliography for 7118618--7118619.cif. |
7118619.cif |
| 175117 | 2016-01-27 | cif/ Adding structures of 7118618, 7118619 via cif-deposit CGI script. |
7118619.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.